2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one

C14H29N3O — CID 77144333

IUPAC2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)C(N)C(=O)N1CCCC1CN(C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17-8-6-7-12(17)9-16(5)11(3)4/h10-13H,6-9,15H2,1-5H3
InChIKeyZKNRGUMMEURXAM-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one

2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 77144333) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID77144333
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)C(N)C(=O)N1CCCC1CN(C)C(C)C
InChIInChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17-8-6-7-12(17)9-16(5)11(3)4/h10-13H,6-9,15H2,1-5H3
InChIKeyZKNRGUMMEURXAM-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
tert-butyl N-[[1-(2-amino-3-methylbutanoyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 77144003
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 66566335
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66567928
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
(2S)-2-amino-3-methyl-1-[(3S)-3-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 96554894
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
benzyl N-[[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 96554050
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one (CID 77144333) is 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one is CC(C)C(N)C(=O)N1CCCC1CN(C)C(C)C.
What is the InChIKey of 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is ZKNRGUMMEURXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(2)13(15)14(18)17-8-6-7-12(17)9-16(5)11(3)4/h10-13H,6-9,15H2,1-5H3.
What are the key properties of 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 77144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).